Cas no 28249-78-7 (Carbamothioic acid, diethyl-, S-[(4-methylphenyl)methyl] ester)

Carbamothioic acid, diethyl-, S-[(4-methylphenyl)methyl] ester structure
28249-78-7 structure
Product Name:Carbamothioic acid, diethyl-, S-[(4-methylphenyl)methyl] ester
CAS No:28249-78-7
MF:C13H19NOS
MW:237.361062288284
CID:1434050
PubChem ID:21319713
Update Time:2025-04-20

Carbamothioic acid, diethyl-, S-[(4-methylphenyl)methyl] ester Chemical and Physical Properties

Names and Identifiers

    • Carbamothioic acid, diethyl-, S-[(4-methylphenyl)methyl] ester
    • SCHEMBL11327798
    • DTXSID301177291
    • 28249-78-7
    • Inchi: 1S/C13H19NOS/c1-4-14(5-2)13(15)16-10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
    • InChI Key: IZCVUBHWWMCUGE-UHFFFAOYSA-N
    • SMILES: S(C(N(CC)CC)=O)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 237.11887
  • Monoisotopic Mass: 237.11873540g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 45.6?2

Experimental Properties

  • PSA: 20.31
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